1-(azepan-1-yl)-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[3-(phenoxymethyl)-2-furoyl]piperazino]ethanone Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c28-22(26-11-6-1-2-7-12-26)18-25-13-15-27(16-14-25)24(29)23-20(10-17-30-23)19-31-21-8-4-3-5-9-21/h3-5,8-10,17H,1-2,6-7,11-16,18-19H2